[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]methanol

C16H17F5N4O — CID 139300636

IUPAC[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]methanol
SMILESOCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C16H17F5N4O/c17-15(18)4-1-11(2-5-15)22-13-7-10(9-26)8-14(23-13)25-6-3-12(24-25)16(19,20)21/h3,6-8,11,26H,1-2,4-5,9H2,(H,22,23)
InChIKeyWBOPWRQJQAZUCZ-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.77
Rot. Bonds4

About [2-[(4,4-difluorocyclohexyl)amino]-6-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]methanol

[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]methanol (PubChem CID 139300636) has the molecular formula C16H17F5N4O and a molecular weight of 376.33 g/mol. Its IUPAC name is [2-[(4,4-difluorocyclohexyl)amino]-6-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]methanol
PubChem CID139300636
Molecular FormulaC16H17F5N4O
Molecular Weight376.33 g/mol
Exact Mass376.13
IUPAC Name[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]methanol
SMILESOCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C(F)(F)F)n2)c1
InChIInChI=1S/C16H17F5N4O/c17-15(18)4-1-11(2-5-15)22-13-7-10(9-26)8-14(23-13)25-6-3-12(24-25)16(19,20)21/h3,6-8,11,26H,1-2,4-5,9H2,(H,22,23)
InChIKeyWBOPWRQJQAZUCZ-UHFFFAOYSA-N
XLogP3.77
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4,4-difluorocyclohexyl)amino]-6-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]methanol?
The IUPAC name of [2-[(4,4-difluorocyclohexyl)amino]-6-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]methanol (CID 139300636) is [2-[(4,4-difluorocyclohexyl)amino]-6-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]methanol.
What is the SMILES notation for [2-[(4,4-difluorocyclohexyl)amino]-6-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]methanol?
The canonical SMILES for [2-[(4,4-difluorocyclohexyl)amino]-6-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]methanol is OCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C(F)(F)F)n2)c1.
What is the InChIKey of [2-[(4,4-difluorocyclohexyl)amino]-6-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]methanol?
The InChIKey is WBOPWRQJQAZUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F5N4O/c17-15(18)4-1-11(2-5-15)22-13-7-10(9-26)8-14(23-13)25-6-3-12(24-25)16(19,20)21/h3,6-8,11,26H,1-2,4-5,9H2,(H,22,23).
What are the key properties of [2-[(4,4-difluorocyclohexyl)amino]-6-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]methanol?
[2-[(4,4-difluorocyclohexyl)amino]-6-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]methanol has a molecular weight of 376.33 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4,4-difluorocyclohexyl)amino]-6-[3-(trifluoromethyl)pyrazol-1-yl]-4-pyridinyl]methanol is sourced from PubChem (CID 139300636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).